Information card for entry 4339499

Structure parameters

• Common name: [(CuCN)~3~(Pym(NH~2~)~2~)]
• Chemical name: catena-poly[!mu-2,4-diaminopyrimidinetri-!mu-cyano-)tricopper(I)]
• Formula: C7 H6 Cu3 N7
• Calculated formula: C7 H6 Cu3 N7
• Title of publication: Copper(I) cyanide networks: synthesis, luminescence behavior and thermal analysis. Part 1. Diimine ligands.
• Authors of publication: Tronic, Tristan A.; deKrafft, Kathryn E; Lim, Mi Jung; Ley, Amanda N.; Pike, Robert D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8897 - 8912
• a: 3.6804 ± 0.0001 Å
• b: 16.4431 ± 0.0006 Å
• c: 16.9043 ± 0.0006 Å
• α: 90°
• β: 90.707 ± 0.002°
• γ: 90°
• Cell volume: 1022.92 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No